SCHEMBL22016212

SCHEMBL22016212

CCn1c(=O)c2cc(N(C)C)ccc2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 6/20 0.50
PLK1 P53350 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24312051 0.83 KDM4E (0.57) PARGKDM4EALDH1A1HSD17B10HPGD
SCHEMBL24312203 0.79 ALDH1A1 (0.43) PARGPLK1KDM4EALDH1A1HSD17B10
SCHEMBL22017360 0.78 KDM4E (0.43) PARGPLK1KDM4EALDH1A1HSD17B10
SCHEMBL17298315 0.76 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL6363131 0.74 MAPK8 (0.64) KDM4EALDH1A1HSD17B10MAPK1MAPK8
SCHEMBL13376862 0.74 PGR (0.64) PARGPLK1KDM4EALDH1A1HSD17B10
SCHEMBL11713598 0.71 PGR (0.66) PARG
SCHEMBL28750653 0.70 PARG (0.50) PARGKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10084699 0.70 RORA (0.52) PARGKDM4EHPDPDE4AADORA2A
SCHEMBL11713601 0.70 PGR (0.54) PARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PARG 4220/4885PLK1 421/4885KDM4E 2522/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PARG 4220/4885PLK1 421/4885KDM4E 2522/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PARG 4220/4885PLK1 421/4885KDM4E 2522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.